SCHEMBL4628435

SCHEMBL4628435

CC(C)(C)NC(=O)c1c[c][c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
IMPDH2 P12268 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL744546 0.79 LMNA (0.46) LMNAHTTMAPTPOLBCYP2C9
SCHEMBL4627902 0.79 HDAC8 (0.47) HTTSMN1; SMN2GAAHPGD
SCHEMBL5253664 0.76 CYP2C9 (0.44) LMNAHTTPOLBCYP2C9SMN1; SMN2
SCHEMBL17865779 0.75 LMNA (0.58) LMNAHTTMAPTPOLBCYP2C9
SCHEMBL4626984 0.74 CA9 (0.40) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4627888 0.74 MLYCD (0.46) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL16447347 0.71 HPGDS (0.40) LMNAHTTMAPTPOLBCYP2C9
SCHEMBL9901502 0.71 LMNA (0.41) LMNAHTTMAPTPOLBIMPDH2
SCHEMBL4627897 0.71 L3MBTL1 (0.49) HTTPOLBSMN1; SMN2KMT2AKDM4E
SCHEMBL1515244 0.71 SMN1; SMN2 (0.43) LMNAHTTMAPTPOLBCYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP claimed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP claimed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 LMNA 803/4885HTT 4087/4885MAPT 3408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.